5-phenyl-1,3-oxazolidine-2-thione

C9H9NOS — CID 10397377

IUPAC5-phenyl-1,3-oxazolidine-2-thione
SMILESS=C1NCC(c2ccccc2)O1
InChIInChI=1S/C9H9NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)
InChIKeyULDSUTWYOBXEBV-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.63
Rot. Bonds1

About 5-phenyl-1,3-oxazolidine-2-thione

5-phenyl-1,3-oxazolidine-2-thione (PubChem CID 10397377) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-phenyl-1,3-oxazolidine-2-thione
PubChem CID10397377
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name5-phenyl-1,3-oxazolidine-2-thione
SMILESS=C1NCC(c2ccccc2)O1
InChIInChI=1S/C9H9NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12)
InChIKeyULDSUTWYOBXEBV-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-oxazolidine-2-thione?
The IUPAC name of 5-phenyl-1,3-oxazolidine-2-thione (CID 10397377) is 5-phenyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-phenyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-phenyl-1,3-oxazolidine-2-thione is S=C1NCC(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-1,3-oxazolidine-2-thione?
The InChIKey is ULDSUTWYOBXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c12-9-10-6-8(11-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,12).
What are the key properties of 5-phenyl-1,3-oxazolidine-2-thione?
5-phenyl-1,3-oxazolidine-2-thione has a molecular weight of 179.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 10397377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).